UCSF

ZINC04903846

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 5.91 -19.39 1 4 0 67 319.769 2
Mid Mid (pH 6-8) 3.62 4.66 -41.02 0 4 -1 70 318.761 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )